Analytenname

Bivalirudin 1-11 Fragment Trifluoroacetic Acid Salt

Molekularformel

C43H63N15O15 . (C2HF3O2)x

Molekulargewicht

1030.0511402

SMILES

OC(C(F)(F)F)=O.O=C([H])[C@@H](NN1CCC[C@H]1C(N[C@@H](CCCNC(N)=N)C(N2CCC[C@H]2C(NCC(NCC(NCC(NCC(N[C@@H](CC(N)=O)C(NCC(N[C@H]([C]=O)CC(O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)CC3=CC=CC=C3

InChI

InChI=1S/C43H63N15O14.C2HF3O2/c44-32(61)17-29(39(69)51-22-36(65)53-26(23-59)16-38(67)68)54-37(66)21-50-34(63)19-48-33(62)18-49-35(64)20-52-40(70)30-10-5-13-57(30)42(72)28(9-4-12-47-43(45)46)55-41(71)31-11-6-14-58(31)56-27(24-60)15-25-7-2-1-3-8-25;3-2(4,5)1(6)7/h1-3,7-8,23-24,26-31,56H,4-6,9-22H2,(H2,44,61)(H,48,62)(H,49,64)(H,50,63)(H,51,69)(H,52,70)(H,53,65)(H,54,66)(H,55,71)(H,67,68)(H4,45,46,47);(H,6,7)/t26-,27-,28-,29-,30-,31-;/m0./s1/i24D;

IUPAC

(3S)-3-[[2-[[(2S)-4-amino-2-[[2-[[2-[[2-[[2-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-deuterio-1-oxo-3-phenylpropan-2-yl]amino]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-4-oxobutanoyl]amino]acetyl]amino]-4-oxobutanoic acid;2,2,2-trifluoroacetic acid

Abweichende CAS-Nummer

Bivalirudin: 128270-60-0

Lagertemperatur

+4°C

Versandtemperatur

Room Temperature

Herkunftsland

CANADA

Produkttyp

Impurity

Produktformat

Neat

API-Familie

Bivalirudin Trifluoroacetic Acid Salt